3-bromo-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzamide

C15H12BrClFNO — CID 55704215

IUPAC3-bromo-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cc(F)cc(Br)c1
InChIInChI=1S/C15H12BrClFNO/c16-12-7-11(8-14(18)9-12)15(20)19-6-5-10-1-3-13(17)4-2-10/h1-4,7-9H,5-6H2,(H,19,20)
InChIKeySSLWRWYODCAMCN-UHFFFAOYSA-N
MW356.62 g/mol
LogP4.21
Rot. Bonds4

About 3-bromo-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzamide

3-bromo-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzamide (PubChem CID 55704215) has the molecular formula C15H12BrClFNO and a molecular weight of 356.62 g/mol. Its IUPAC name is 3-bromo-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzamide
PubChem CID55704215
Molecular FormulaC15H12BrClFNO
Molecular Weight356.62 g/mol
Exact Mass354.98
IUPAC Name3-bromo-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cc(F)cc(Br)c1
InChIInChI=1S/C15H12BrClFNO/c16-12-7-11(8-14(18)9-12)15(20)19-6-5-10-1-3-13(17)4-2-10/h1-4,7-9H,5-6H2,(H,19,20)
InChIKeySSLWRWYODCAMCN-UHFFFAOYSA-N
XLogP4.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.62
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 9081924
3,5-dibromo-N-(2-phenylethyl)benzamide
CID 107980021
1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 1242332
N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 673830
4-bromo-3-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 47421922
N-[2-(4-chlorophenyl)ethyl]-2-fluoro-4-hydroxybenzamide
CID 103939851
4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051887
3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-5-fluorobenzamide
CID 63529302
5-[3,5-bis[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]-1-N,3-N-bis[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 10605421
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 26516329
N-[2-(3,4-dihydroxyphenyl)ethyl]-3,5-difluorobenzamide
CID 78796775

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzamide?
The IUPAC name of 3-bromo-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzamide (CID 55704215) is 3-bromo-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzamide?
The canonical SMILES for 3-bromo-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzamide is O=C(NCCc1ccc(Cl)cc1)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzamide?
The InChIKey is SSLWRWYODCAMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO/c16-12-7-11(8-14(18)9-12)15(20)19-6-5-10-1-3-13(17)4-2-10/h1-4,7-9H,5-6H2,(H,19,20).
What are the key properties of 3-bromo-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzamide?
3-bromo-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzamide has a molecular weight of 356.62 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzamide is sourced from PubChem (CID 55704215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).